The change of the vibrational frequencies of a chemisorbed diatomic caused by the electrostatic interactions with the metal surface

Shlomo Efrima; Horia Metiu

doi:10.1016/0039-6028(81)90453-2

The change of the vibrational frequencies of a chemisorbed diatomic caused by the electrostatic interactions with the metal surface

Shlomo Efrima, Horia Metiu

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

Results of density functional calculations are used to discuss the change of the vibrational frequency of an adsorbed molecule caused by the electrostatic interaction between a chemisorbed molecule - simulated by two effective charges - and a metallic surface.

Original language	English
Pages (from-to)	329-339
Number of pages	11
Journal	Surface Science
Volume	108
Issue number	2
DOIs	https://doi.org/10.1016/0039-6028(81)90453-2
State	Published - 1 Jul 1981

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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10.1016/0039-6028(81)90453-2

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title = "The change of the vibrational frequencies of a chemisorbed diatomic caused by the electrostatic interactions with the metal surface",

abstract = "Results of density functional calculations are used to discuss the change of the vibrational frequency of an adsorbed molecule caused by the electrostatic interaction between a chemisorbed molecule - simulated by two effective charges - and a metallic surface.",

author = "Shlomo Efrima and Horia Metiu",

note = "Funding Information: Acknowledgement is made to the US-Israel Binational Science Foundation (BSF) for support of this work. The help of Mr. OvadiahI tamar in part of the calculation is gratefully acknowledged.",

year = "1981",

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doi = "10.1016/0039-6028(81)90453-2",

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T1 - The change of the vibrational frequencies of a chemisorbed diatomic caused by the electrostatic interactions with the metal surface

AU - Efrima, Shlomo

AU - Metiu, Horia

N1 - Funding Information: Acknowledgement is made to the US-Israel Binational Science Foundation (BSF) for support of this work. The help of Mr. OvadiahI tamar in part of the calculation is gratefully acknowledged.

PY - 1981/7/1

Y1 - 1981/7/1

N2 - Results of density functional calculations are used to discuss the change of the vibrational frequency of an adsorbed molecule caused by the electrostatic interaction between a chemisorbed molecule - simulated by two effective charges - and a metallic surface.

AB - Results of density functional calculations are used to discuss the change of the vibrational frequency of an adsorbed molecule caused by the electrostatic interaction between a chemisorbed molecule - simulated by two effective charges - and a metallic surface.

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U2 - 10.1016/0039-6028(81)90453-2

DO - 10.1016/0039-6028(81)90453-2

M3 - Article

AN - SCOPUS:30244545609

SN - 0039-6028

VL - 108

SP - 329

EP - 339

JO - Surface Science

JF - Surface Science

IS - 2

ER -

The change of the vibrational frequencies of a chemisorbed diatomic caused by the electrostatic interactions with the metal surface

Abstract

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